Compound Detail
CHEMBL202894
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Basic Information
| ChEMBL ID | CHEMBL202894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPIOXZHGLYQLNZ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
2.06
ALogP
6
HBA
3
HBD
95.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.9
IC50 2 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | EC50 | 5.9 | 5.465 | 1261.0 | 2 |
| Estrogen receptor beta CHEMBL242 | IC50 | 5.24 | 5.24 | 5752.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 4.71 | 4.71 | 19437.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | EC50 | = | 1261.0 | nM | 5.9 | Inhibition of ER beta-mediated transactivation of ERE in HeLa cell luciferase as... | 16610787 |
| Estrogen receptor beta | IC50 | = | 5752.0 | nM | 5.24 | Displacement of [3H]estrone from ER beta | 16610787 |
| Estrogen receptor beta | EC50 | = | 9317.0 | nM | 5.03 | Inhibition of ER beta-mediated transactivation of ERE in HeLa cell luciferase as... | 16610787 |
| Estrogen receptor | IC50 | = | 19437.0 | nM | 4.71 | Displacement of [3H]estrone from ER alpha | 16610787 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16610787 | 10.1021/jm0509389 | Estrogen receptor beta | 3 |
| 16610787 | 10.1021/jm0509389 | Estrogen receptor | 3 |
Data from ChEMBL 36 via Core Engine